Volume 44; Issue 6

Journal of Structural Chemistry

Volume 44; Issue 6

1

Numerically Integrable Confined Basis Functions for Band Structure Calculations

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 105 KB

english, 2003

2

Electronic Structure and Optical Properties of the SurfaceF-Centers in MgO: A Theoretical Analysis by DFT Approach

V. I. Avdeev, G. M. Zhidomirov

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 128 KB

english, 2003

3

Quantum Chemical Study of the Lithium Cation Coordination by Dimethylsulfoxide Molecules

Yu. L. Frolov, I. V. Guchik, V. A. Shagun, A. V. Vaschenko, B. A. Trofimov

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 77 KB

english, 2003

4

Quantum Chemical Study of Spatial Structure and Stereoelectronic Properties of Iminodihydrofuran Ensembles

V. A. Shagun, V. I. Smirnov, A. G. Mal'kina, B. A. Trofimov

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 334 KB

english, 2003

5

Adiabatic Potential Energy Surface of the 1,2,3-Trifluorobenzene Cation-Radical

V. P. Vysotskii, L. N. Shchegoleva

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 175 KB

english, 2003

6

On Feasibility of “Spectroscopic” Calculations of XH Bond Dissociation Energies for Polyatomic Molecules from Fundamental Vibration Frequencies Using the Anharmonic Molecular Model

L. A. Gribov, I. A. Novakov, A. I. Pavlyuchko, B. S. Orlinson

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 112 KB

english, 2003

7

“Spectroscopic” Calculations of CH Bond Dissociation Energies for Ethane, Propane, Butane, Isobutane, Pentane, Hexane, and Neopentane Using Fundamental Vibration Frequencies

L. A. Gribov, I. A. Novakov, A. I. Pavlyuchko, I. O. Kulago, B. S. Orlinson

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 111 KB

english, 2003

8

Force Constant Transportability Problem

V. P. Morozov, M. P. Dergachev, M. V. Lasunin

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 86 KB

english, 2003

9

High-Temperature Structural Disorder in R3NbO7

S. A. Kovyazina, L. A. Perelyaeva, I. A. Leonidov, Yu. A. Bakhteeva

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 104 KB

english, 2003

10

X-Ray Emission Spectra and Electronic Structure of Palladium β-Diketonate Complexes

L. N. Mazalov, S. V. Trubina, G. K. Parygina, I. M. Oglezneva, G. I. Zharkova, I. K. Igumenov

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 130 KB

english, 2003

11

State of Water in Hydration Spheres of Potassium Iodide

V. N. Afanasiev, S. Yu. Tikhomirov

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 117 KB

english, 2003

12

Concentration Dependence of the Activation Energy of Conductivity in Aqueous Sodium Selenite and Potassium Tellurite

L. T. Vlaev, S. D. Genieva, M. P. Tavlieva

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 128 KB

english, 2003

13

Anomalous Density and Permittivity Effects on the Structure of Water

T. V. Lokotosh, N. P. Malomuzh, V. L. Zakharchenko

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 125 KB

english, 2003

14

Potential of X-Ray Diffractometry in Structure Identification of Holmium Polysulfides

S. V. Belaya, D. Yu. Naumov, N. V. Podberezskaya, I. G. Vasilieva, N. V. Pervukhina

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 111 KB

english, 2003

15

Covalent Interactions in Mercury Oxohalides and Their Role in Crystal Structure Fragmentation

S. V. Borisov, S. A. Magarill, N. V. Pervukhina

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 178 KB

english, 2003

16

Gas Hydrate Frameworks of Allen's Polyhedra. 3. Chemical and Structural Implications of the Topological Properties of the Frameworks

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 230 KB

english, 2003

17

Pathogenic Mineralization on Human Heart Valves. III. Electron Microscopy

L. G. Gilinskaya, N. A. Rudina, G. N. Okuneva, Yu. A. Vlasov

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 2.35 MB

english, 2003

18

Synthesis, Properties, and Crystal and Molecular Structures of New Ni(II) Complexes with Sterically Hindered Methoxy-β-iminoketones

G. I. Zharkova, I. A. Baidina, S. A. Gromilov, A. D. Vasiliev

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 138 KB

english, 2003

19

Saturated Vapor Pressure and Crystal Structure of Bis-(2-imino-4-pentanonato)copper(II)

P. A. Stabnikov, I. A. Baidina, S. V. Sysoev, N. S. Vanina, N. B. Morozova, I. K. Igumenov

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 146 KB

english, 2003

20

Ab InitioCalculation of the Structure and Functions of Sulfo Cation Exchangers

E. V. Butyrskaya, V. A. Shaposhnik

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 120 KB

english, 2003

21

Structure of Modified Polytetrafluoroethylene According to DFT Calculations and19F NMR Spectroscopy

V. M. Buznik, S. P. Gabuda, S. G. Kozlova, A. K. Tsvetnikov

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 69 KB

english, 2003

22

Synthesis and Crystal Structure of a New Binaphthylamide

Yawen Wang, Weisheng Liu, Kaibei Yu

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 110 KB

english, 2003

23

Structure ofd-Metal Complexes with Methylimino-Acetic Acid N-oxide

I. V. Raspertova, M. V. Zhigalko, O. V. Shishkin, R. D. Lampeka

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 76 KB

english, 2003

24

Crystal Structure of Tetrafluoro(1,10-phenanthroline-N,N')silicon Acetonitrile Semisolvate

A. N. Chekhlov, V. V. Tkachev, S. A. Lermontov

Journal:

Journal of Structural Chemistry

Year:

2003

Language:

english

File:

PDF, 79 KB

english, 2003

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